| CAS Number | 882268-69-1 |
| Catalog Number | AG01ENVY(AGN-PC-3H463K) |
| Chemical Name | Methyl 3-(2-(cyano(methylsulfonyl)methylene)hydrazineyl)thiophene-2-carboxylate |
| IUPAC Name | methyl 3-[(2E)-2-[cyano(methylsulfonyl)methylidene]hydrazinyl]thiophene-2-carboxylate |
| InChI | InChI=1S/C9H9N3O4S2/c1-16-9(13)8-6(3-4-17-8)11-12-7(5-10)18(2,14)15/h3-4,11H,1-2H3/b12-7+ |
| InChI Key | OOGAPDPPVHJYGJ-KPKJPENVSA-N |
| MDL Number | MFCD30861484 |
| Molecular Formula | C9H9N3O4S2 |
| Molecular Weight | 287.3155 |
| SMILES | C(#N)C(S(=O)(=O)C)=NNC1=C(SC=C1)C(=O)OC |
| Synonyms | 882268-69-1,
AC1O44NL,
HIF-2a translation inhibitor,
SCHEMBL781448,
HMS554D20,
CCG-45847,
SR-01000635592-1,
methyl 3-[(2E)-2-[cyano(methylsulfonyl)methylidene]hydrazinyl]thiophene-2-carboxylate,
ZINC00125862,
CID6375097,
A16181,
|
| Complexity | 500 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 287.003g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 287.308g/mol |
| Monoisotopic Mass | 287.003g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 145A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
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Certificate of Analysis
Lot Number